N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide

C15H29FN2O5 — CID 171065096

IUPACN-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCCOCCOCCOCCCNF
InChIInChI=1S/C15H29FN2O5/c1-14(19)4-5-15(20)17-6-2-8-21-10-12-23-13-11-22-9-3-7-18-16/h18H,2-13H2,1H3,(H,17,20)
InChIKeyKPXXGPXUMXOLSY-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.78
Rot. Bonds17

About N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide

N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide (PubChem CID 171065096) has the molecular formula C15H29FN2O5 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
PubChem CID171065096
Molecular FormulaC15H29FN2O5
Molecular Weight336.40 g/mol
Exact Mass336.21
IUPAC NameN-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCCOCCOCCOCCCNF
InChIInChI=1S/C15H29FN2O5/c1-14(19)4-5-15(20)17-6-2-8-21-10-12-23-13-11-22-9-3-7-18-16/h18H,2-13H2,1H3,(H,17,20)
InChIKeyKPXXGPXUMXOLSY-UHFFFAOYSA-N
XLogP0.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
The IUPAC name of N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide (CID 171065096) is N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide.
What is the SMILES notation for N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
The canonical SMILES for N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCCOCCOCCOCCCNF.
What is the InChIKey of N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
The InChIKey is KPXXGPXUMXOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O5/c1-14(19)4-5-15(20)17-6-2-8-21-10-12-23-13-11-22-9-3-7-18-16/h18H,2-13H2,1H3,(H,17,20).
What are the key properties of N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide?
N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide has a molecular weight of 336.40 g/mol, XLogP of 0.78, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-(fluoroamino)propoxy]ethoxy]ethoxy]propyl]-4-oxopentanamide is sourced from PubChem (CID 171065096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).